Professor Wayne Gladfelter

CSENG Chemistry
College of Science & Engineering
Twin Cities
Project Title: 
Precursors for Hybrid MBE and Excited State Transfer to Semiconductor Nanocrystals

These researchers are currently involved in two research projects for which computational methods are fundamental.

  • The first and most computationally intensive project, funded by the NSF, involves determining possible reaction mechanisms of molecular precursors used for the deposition of metal oxide films using hybrid molecular beam epitaxy (MBE). In order to create effective films, it is important to understand how the precursors interact with the surfaces they are deposited on, as well as their structures, which can contribute to high quality crystal growth in specific MBE experiments. With these experiments, the researchers can computationally screen precursors for hybrid MBE experiments to improve depositions. Co-PIs on this project include Bharat Jalan in Chemical Engineering and Materials Science, Jason Goodpaster in Chemistry, and Christopher Cramer in Chemistry.
  • The second project involves the use of computational methods to evaluate the ground and excited states of molecular dyes that may be valuable for photovoltaics. The joint proposal (David Blank in Chemistry is the PI, Ted Pappenfus in Chemistry and Biochemistry, UMN Morris and this PI are co-PIs) submitted in September to the NSF focuses on the design molecules capable of singlet fission, which has the potential to increase photovoltaic efficiency.

Project Investigators

Professor Wayne Gladfelter
 
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